N-butylbutan-1-amine;2,2-dimethylpropan-1-amine

C13H32N2 — CID 19894771

IUPACN-butylbutan-1-amine;2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CN.CCCCNCCCC
InChIInChI=1S/C8H19N.C5H13N/c1-3-5-7-9-8-6-4-2;1-5(2,3)4-6/h9H,3-8H2,1-2H3;4,6H2,1-3H3
InChIKeyKCUNQVOFLNBORA-UHFFFAOYSA-N
MW216.41 g/mol
LogP3.17
Rot. Bonds6

About N-butylbutan-1-amine;2,2-dimethylpropan-1-amine

N-butylbutan-1-amine;2,2-dimethylpropan-1-amine (PubChem CID 19894771) has the molecular formula C13H32N2 and a molecular weight of 216.41 g/mol. Its IUPAC name is N-butylbutan-1-amine;2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-butylbutan-1-amine;2,2-dimethylpropan-1-amine
PubChem CID19894771
Molecular FormulaC13H32N2
Molecular Weight216.41 g/mol
Exact Mass216.26
IUPAC NameN-butylbutan-1-amine;2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CN.CCCCNCCCC
InChIInChI=1S/C8H19N.C5H13N/c1-3-5-7-9-8-6-4-2;1-5(2,3)4-6/h9H,3-8H2,1-2H3;4,6H2,1-3H3
InChIKeyKCUNQVOFLNBORA-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butylbutan-1-amine;2,2-dimethylpropan-1-amine?
The IUPAC name of N-butylbutan-1-amine;2,2-dimethylpropan-1-amine (CID 19894771) is N-butylbutan-1-amine;2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-butylbutan-1-amine;2,2-dimethylpropan-1-amine?
The canonical SMILES for N-butylbutan-1-amine;2,2-dimethylpropan-1-amine is CC(C)(C)CN.CCCCNCCCC.
What is the InChIKey of N-butylbutan-1-amine;2,2-dimethylpropan-1-amine?
The InChIKey is KCUNQVOFLNBORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C5H13N/c1-3-5-7-9-8-6-4-2;1-5(2,3)4-6/h9H,3-8H2,1-2H3;4,6H2,1-3H3.
What are the key properties of N-butylbutan-1-amine;2,2-dimethylpropan-1-amine?
N-butylbutan-1-amine;2,2-dimethylpropan-1-amine has a molecular weight of 216.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbutan-1-amine;2,2-dimethylpropan-1-amine is sourced from PubChem (CID 19894771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).